Structure of PDB 6oyu Chain B Binding Site BS01

Receptor Information
>6oyu Chain B (length=459) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSRPPGPFPWPLISAPHLSFARLARRYGDVFQIRLGSCPVVVLNGERAIR
QALVQQGAAFAGRPPFPSFQVVSGGRSLAFGRYSERWKVQRRVAHSTVRA
FSTGQPRSRRVLEQHVLGEARELVRLLVRGSAGGAFLDPAPLTVVAVANV
MSAVCFGCRYSHDDAEFRGLLSHNEKFGRTVGAGSLVDVLPWLQRFPNPV
RTAFRDFQQLNRDFYSFVLDKFLRHRSSLRPGAAPRDMMDAFIHTGPRLD
LEYVPATVTDIFGASQDTLSTALQWLLILFTRYPEVQARVQEELDRVVGR
DRLPCMDDQPHLPYVMAFLYEAMRFSSFVPVTIPHATTADTSIMGYHIPK
DTVVFVNQWSVNHDPVKWPNPEDFNPARFLDKNGFINKDLASSVMIFSVG
KRRCIGEELSKMQLFLFISILAHQCNFRANPDEDSKMDFSYGLTIKPKSF
TINVTLRST
Ligand information
Ligand IDBHF
InChIInChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKeyVFMMPHCGEFXGIP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2
CACTVS 3.341O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4
ACDLabs 10.04O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4
FormulaC19 H12 O2
Name2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE;
7,8-BENZOFLAVONE;
ALPHA-NAPHTHOFLAVONE
ChEMBLCHEMBL283196
DrugBankDB07453
ZINCZINC000000038933
PDB chain6oyu Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6oyu Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
Resolution2.95 Å
Binding residue
(original residue number in PDB)
V126 F134 H227 N228 F231 G329 A330 D333
Binding residue
(residue number reindexed from 1)
V72 F80 H173 N174 F177 G263 A264 D267
Annotation score1
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Fri Nov 15 15:02:10 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()
   1435     title=pdb2title(pdbid)
   1436     if bs.startswith("BS"):
=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1438     else:
   1439         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '6oyu', asym_id = 'B', bs = 'BS01', title = 'Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6oyu', asym_id='B', bs='BS01', title='Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.')
   1295         display_ec(ec,csaOrig,csaRenu)
   1296     if go:
=> 1297         display_go(go,uniprot,pdbid,asym_id)
   1298     return pubmed,uniprot
   1299 
global display_go = <function display_go>, go = '0004497,0005506,0016705,0020037', uniprot = '', pdbid = '6oyu', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004497,0005506,0016705,0020037', uniprot='', pdbid='6oyu', asym_id='B')
    480         '''.replace("$namespace_link",namespace_link
    481           ).replace("$namespace",namespace
=>  482           ).replace("$uniprot",u
    483         ))
    484         for l,(term,name) in enumerate(go2aspect[Aspect]):
u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>